N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide

C19H15ClFN3O3 — CID 9317040

IUPACN-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESCOc1ccc2nc(Cl)c(/C=N\NC(=O)COc3ccccc3F)cc2c1
InChIInChI=1S/C19H15ClFN3O3/c1-26-14-6-7-16-12(9-14)8-13(19(20)23-16)10-22-24-18(25)11-27-17-5-3-2-4-15(17)21/h2-10H,11H2,1H3,(H,24,25)/b22-10-
InChIKeyQWMOEMAJDPXJRV-YVNNLAQVSA-N
MW387.80 g/mol
LogP3.57
Rot. Bonds6

About N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 9317040) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID9317040
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC NameN-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESCOc1ccc2nc(Cl)c(/C=N\NC(=O)COc3ccccc3F)cc2c1
InChIInChI=1S/C19H15ClFN3O3/c1-26-14-6-7-16-12(9-14)8-13(19(20)23-16)10-22-24-18(25)11-27-17-5-3-2-4-15(17)21/h2-10H,11H2,1H3,(H,24,25)/b22-10-
InChIKeyQWMOEMAJDPXJRV-YVNNLAQVSA-N
XLogP3.57
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 1365002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide (CID 9317040) is N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide is COc1ccc2nc(Cl)c(/C=N\NC(=O)COc3ccccc3F)cc2c1.
What is the InChIKey of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is QWMOEMAJDPXJRV-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-26-14-6-7-16-12(9-14)8-13(19(20)23-16)10-22-24-18(25)11-27-17-5-3-2-4-15(17)21/h2-10H,11H2,1H3,(H,24,25)/b22-10-.
What are the key properties of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 387.80 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9317040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).